2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C91H73F9N18O8 — CID 159865635

About 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 159865635) has the molecular formula C91H73F9N18O8 and a molecular weight of 1717.68 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159865635
• Molecular Formula: C91H73F9N18O8
• Molecular Weight: 1717.68 g/mol
• Exact Mass: 1716.57
• IUPAC Name: 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=O)CC2.Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1ccc(-c2ccccc2C#N)cc1.Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1ccc(-c2ccccc2C(=O)O)nc1.Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1cccc(-c2ccccc2-c2nn[nH]n2)c1
• InChI: InChI=1S/C23H18F3N7O.C23H17F3N4O.C23H21N3O3.C22H17F3N4O3/c1-13-27-20(23(24,25)26)18-9-10-19(34)33(22(18)28-13)12-14-5-4-6-15(11-14)16-7-2-3-8-17(16)21-29-31-32-30-21;1-14-28-21(23(24,25)26)19-10-11-20(31)30(22(19)29-14)13-15-6-8-16(9-7-15)18-5-3-2-4-17(18)12-27;1-14-18-11-12-21(27)26(22(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)23(28)29;1-12-27-19(22(23,24)25)16-7-9-18(30)29(20(16)28-12)11-13-6-8-17(26-10-13)14-4-2-3-5-15(14)21(31)32/h2-8,11H,9-10,12H2,1H3,(H,29,30,31,32);2-9H,10-11,13H2,1H3;3-10H,11-13H2,1-2H3,(H,28,29);2-6,8,10H,7,9,11H2,1H3,(H,31,32)
• InChIKey: NRRSAVBJSMWTMD-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 350.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.68
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 159865635) is 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=O)CC2.Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1ccc(-c2ccccc2C#N)cc1.Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1ccc(-c2ccccc2C(=O)O)nc1.Cc1nc2c(c(C(F)(F)F)n1)CCC(=O)N2Cc1cccc(-c2ccccc2-c2nn[nH]n2)c1.

What is the InChIKey of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The InChIKey is NRRSAVBJSMWTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N7O.C23H17F3N4O.C23H21N3O3.C22H17F3N4O3/c1-13-27-20(23(24,25)26)18-9-10-19(34)33(22(18)28-13)12-14-5-4-6-15(11-14)16-7-2-3-8-17(16)21-29-31-32-30-21;1-14-28-21(23(24,25)26)19-10-11-20(31)30(22(19)29-14)13-15-6-8-16(9-7-15)18-5-3-2-4-17(18)12-27;1-14-18-11-12-21(27)26(22(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)23(28)29;1-12-27-19(22(23,24)25)16-7-9-18(30)29(20(16)28-12)11-13-6-8-17(26-10-13)14-4-2-3-5-15(14)21(31)32/h2-8,11H,9-10,12H2,1H3,(H,29,30,31,32);2-9H,10-11,13H2,1H3;3-10H,11-13H2,1-2H3,(H,28,29);2-6,8,10H,7,9,11H2,1H3,(H,31,32).

What are the key properties of 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1717.68 g/mol, XLogP of 16.93, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2,4-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]benzoic acid;2-[4-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]benzonitrile;2-[5-[[2-methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]-2-pyridinyl]benzoic acid;2-methyl-8-[[3-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159865635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).